N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-cyano-2-methoxy-phenoxy)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-cyano-2-methoxy-phenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-cyano-2-methoxy-phenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-cyano-2-methoxy-phenoxy)acetamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C#N)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C#N)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27N3O5S/c1-17-7-9-19(14-22(17)32(28,29)26-11-5-3-4-6-12-26)25-23(27)16-31-20-10-8-18(15-24)13-21(20)30-2/h7-10,13-14H,3-6,11-12,16H2,1-2H3,(H,25,27)